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Information card for entry 7230296
Preview
| Coordinates | 7230296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H38 Cu2 N4 O15 P4 |
|---|---|
| Calculated formula | C40 H38 Cu2 N4 O15 P4 |
| Title of publication | Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal–organophosphonate macrocycles and cages |
| Authors of publication | Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 15 |
| Pages of publication | 2152 |
| a | 12.2401 ± 0.0004 Å |
| b | 12.5701 ± 0.0004 Å |
| c | 13.419 ± 0.0005 Å |
| α | 93.658 ± 0.002° |
| β | 94.07 ± 0.002° |
| γ | 94.367 ± 0.002° |
| Cell volume | 2048.47 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230296.cif |
| 229098 | 2019-11-17 | cif/ Updating files of 7230295, 7230296 Original log message: Adding full bibliography for 7230295--7230296.cif. |
7230296.cif |
| 206939 | 2018-03-14 | cif/ Adding structures of 7230295, 7230296 via cif-deposit CGI script. |
7230296.cif |
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Users of the data should acknowledge the original authors of the
structural data.